Inhibitors of HIV-1 Integrase-Human LEDGF/p75 Interaction Identified from Natural Products via Virtual Screening

doi:10.1002/cjoc.201200897

CORC > 上海药物研究所 > 中国科学院上海药物研究所 > 药理学第三研究室

	Inhibitors of HIV-1 Integrase-Human LEDGF/p75 Interaction Identified from Natural Products via Virtual Screening
	Hu Guoping 2; Li Xi 2; Li Yaozong 2; Sun Xianqiang 2; Liu Guixia 2; Li Weihua 2; Huang Jin 2; Shen Xu1 ; Tang Yun 2
刊名	CHINESE JOURNAL OF CHEMISTRY
	2012-12
卷号	30 期号:12 页码:2752-2758
关键词	natural products virtual screening protein-protein interaction HIV-1 integrase human LEDGF p75 protein
ISSN号	1001-604X
DOI	10.1002/cjoc.201200897
文献子类	Article
英文摘要	HIV-1 integrase (IN)-mediated integration of viral DNA into the host chromosome is an essential step in the virus life cycle. Human lens epithelium-derived growth factor (LEDGF/p75) has been found to function as a cellular cofactor in this process. The LEDGF/p75-IN interaction hence represents an attractive target for anti-HIV therapy. In this study, natural products were virtually screened against the LEDGF/p75 binding pocket of HIV-1 IN. 24 compounds were selected and obtained from the National Compound Resource Center of China. AlphaScreen assays characterized 8 of these 24 natural products as potent LEDGF/p75-IN interaction inhibitors. The active compounds whose IC50 values ranged from 0.56 to 14.55 mu mol/L could be used as lead compounds for further investigation. This work confirmed that natural products are valuable resources for antiviral drug discovery.
资助项目	Program for New Century Excellent Talents in University[NCET-08-0774] ; Innovation Program of Shanghai Municipal Education Commission[10ZZ41] ; National Natural Science Foundation of China[21072059] ; Shanghai Committee of Science and Technology[11DZ2260600]
WOS关键词	SMALL-MOLECULE INHIBITORS ; PROTEIN INTERACTIONS ; CELLULAR COFACTORS ; BINDING-SITE ; PHARMACOPHORE ; DERIVATIVES ; DISCOVERY ; INSIGHTS ; ACID
WOS研究方向	Chemistry
语种	英语
CSCD记录号	CSCD:4713293
出版者	WILEY-V C H VERLAG GMBH
WOS记录号	WOS:000312942500006
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/277852]
专题	药理学第三研究室中科院受体结构与功能重点实验室新药研究国家重点实验室
通讯作者	Huang Jin
作者单位	1.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Shanghai 201203, Peoples R China 2.E China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab New Drug Design, Shanghai 200237, Peoples R China;
推荐引用方式 GB/T 7714	Hu Guoping,Li Xi,Li Yaozong,et al. Inhibitors of HIV-1 Integrase-Human LEDGF/p75 Interaction Identified from Natural Products via Virtual Screening[J]. CHINESE JOURNAL OF CHEMISTRY,2012,30(12):2752-2758.
APA	Hu Guoping.,Li Xi.,Li Yaozong.,Sun Xianqiang.,Liu Guixia.,...&Tang Yun.(2012).Inhibitors of HIV-1 Integrase-Human LEDGF/p75 Interaction Identified from Natural Products via Virtual Screening.CHINESE JOURNAL OF CHEMISTRY,30(12),2752-2758.
MLA	Hu Guoping,et al."Inhibitors of HIV-1 Integrase-Human LEDGF/p75 Interaction Identified from Natural Products via Virtual Screening".CHINESE JOURNAL OF CHEMISTRY 30.12(2012):2752-2758.